(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride

C17H24ClFN2O2 — CID 119758474

IUPAC(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H23FN2O2.ClH/c18-13-2-5-15(6-3-13)22-16-7-9-20(10-8-16)17(21)12-1-4-14(19)11-12;/h2-3,5-6,12,14,16H,1,4,7-11,19H2;1H
InChIKeyRONJWPZISKSPHD-UHFFFAOYSA-N
MW342.84 g/mol
LogP2.74
Rot. Bonds3

About (3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride

(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119758474) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
PubChem CID119758474
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H23FN2O2.ClH/c18-13-2-5-15(6-3-13)22-16-7-9-20(10-8-16)17(21)12-1-4-14(19)11-12;/h2-3,5-6,12,14,16H,1,4,7-11,19H2;1H
InChIKeyRONJWPZISKSPHD-UHFFFAOYSA-N
XLogP2.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride (CID 119758474) is (3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride is Cl.NC1CCC(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is RONJWPZISKSPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2.ClH/c18-13-2-5-15(6-3-13)22-16-7-9-20(10-8-16)17(21)12-1-4-14(19)11-12;/h2-3,5-6,12,14,16H,1,4,7-11,19H2;1H.
What are the key properties of (3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 342.84 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119758474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).